General Information of the Compound
| Compound ID |
CP0376416
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| Compound Name |
2,2-Dimethyl-propionic acid 6-(5-cyano-thiophen-3-yl)-4,4-dimethyl-2-trifluoromethyl-4H-benzo[d][1,3]oxazin-1-ylmethyl ester
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| Structure |
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| Formula |
C22H23F3N2O3S
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| Molecular Weight |
452.498
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| Canonical SMILES |
CC(C)(C)C(=O)OCN1C(OC(C)(C)c2cc(ccc12)-c1csc(c1)C#N)C(F)(F)F
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| InChI |
InChI=1S/C22H23F3N2O3S/c1-20(2,3)19(28)29-12-27-17-7-6-13(14-8-15(10-26)31-11-14)9-16(17)21(4,5)30-18(27)22(23,24)25/h6-9,11,18H,12H2,1-5H3
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| InChIKey |
TZSPNXHHNKONFA-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound